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Revision 3479 - Directory Listing - [select for diffs]
Modified Mon Nov 24 22:01:56 2008 UTC (17 years ago) by gezelter
Diff to previous 3319 , to selected 2598 
use the viscoConvert in OOPSEConstant
Revision 3319 - Directory Listing - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 10 months ago) by gezelter
Diff to previous 3311 , to selected 2598 
Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
Revision 3311 - Directory Listing - [select for diffs]
Modified Wed Jan 16 20:19:28 2008 UTC (17 years, 10 months ago) by xsun
Diff to previous 3206 , to selected 2598 
Changes to do hydrodynamics modeling and to explain a diff file
Revision 3206 - Directory Listing - [select for diffs]
Modified Tue Aug 14 17:40:33 2007 UTC (18 years, 3 months ago) by xsun
Diff to previous 2985 , to selected 2598 
Bug fixes for non-declared objects
Revision 2985 - Directory Listing - [select for diffs]
Modified Wed Aug 30 21:13:57 2006 UTC (19 years, 2 months ago) by gezelter
Diff to previous 2787 , to selected 2598 
removed extra file in Hydro.cpp
Revision 2787 - Directory Listing - [select for diffs]
Modified Mon Jun 5 18:24:45 2006 UTC (19 years, 5 months ago) by gezelter
Diff to previous 2774 , to selected 2598 
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).

Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
Revision 2774 - Directory Listing - [select for diffs]
Modified Thu May 25 17:02:00 2006 UTC (19 years, 6 months ago) by tim
Diff to previous 2773 , to selected 2598 
Fix a type promotion problem
Revision 2773 - Directory Listing - [select for diffs]
Modified Thu May 25 16:27:27 2006 UTC (19 years, 6 months ago) by tim
Diff to previous 2768 , to selected 2598 
replace double with RealType
Revision 2768 - Directory Listing - [select for diffs]
Modified Wed May 24 18:31:12 2006 UTC (19 years, 6 months ago) by gezelter
Diff to previous 2759 , to selected 2598 
fixes for Hydrodynamics
Revision 2759 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 6 months ago) by tim
Diff to previous 2752 , to selected 2598 
Adding single precision capabilities to c++ side
Revision 2752 - Directory Listing - [select for diffs]
Modified Tue May 16 02:06:37 2006 UTC (19 years, 6 months ago) by gezelter
Diff to previous 2749 , to selected 2598 
*** empty log message ***
Revision 2749 - Directory Listing - [select for diffs]
Modified Wed May 10 01:44:48 2006 UTC (19 years, 6 months ago) by tim
Diff to previous 2734 , to selected 2598 
adding a gay-berne switch to Dump2XYZ
Revision 2734 - Directory Listing - [select for diffs]
Modified Tue Apr 25 13:35:42 2006 UTC (19 years, 7 months ago) by gezelter
Diff to previous 2733 , to selected 2598 
Using OpenBabel element table to pick vdw radii for hydrodynamics
if the LJ sigma can't be found.
Revision 2733 - Directory Listing - [select for diffs]
Modified Tue Apr 25 02:09:01 2006 UTC (19 years, 7 months ago) by gezelter
Diff to previous 2732 , to selected 2598 
Adding spherical boundary conditions to LD integrator
Revision 2732 - Directory Listing - [select for diffs]
Modified Tue Apr 25 02:06:12 2006 UTC (19 years, 7 months ago) by gezelter
Diff to previous 2717 , to selected 2598 
Added EAM atom types to Hydro models
Revision 2717 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years, 7 months ago) by gezelter
Diff to previous 2675 , to selected 2598 
Many performance improvements
Revision 2675 - Directory Listing - [select for diffs]
Modified Wed Mar 29 18:09:26 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2665 , to selected 2598 
(1) RoughShell Model is working; (20)Adding a new option into Hydro which allows user to generate the beads only
Revision 2665 - Directory Listing - [select for diffs]
Modified Thu Mar 23 15:03:33 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2650 , to selected 2598 
update writeBeads method
Revision 2650 - Directory Listing - [select for diffs]
Modified Tue Mar 21 15:33:04 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2646 , to selected 2598 
fix a bug in calculating hydrodynamics tensor when the radius of beads are not the same
Revision 2646 - Directory Listing - [select for diffs]
Modified Tue Mar 21 00:26:55 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2644 , to selected 2598 
Fix a bug in friction calculation for ellipsoid
Revision 2644 - Directory Listing - [select for diffs]
Modified Mon Mar 20 19:12:14 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2635 , to selected 2598 
Verify the correctness of Ellipsoid's hydrodynamics properties
Revision 2635 - Directory Listing - [select for diffs]
Modified Fri Mar 17 23:51:54 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2634 , to selected 2598 
New version of Hydro is working now.
Revision 2634 - Directory Listing - [select for diffs]
Modified Fri Mar 17 23:20:35 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2632 , to selected 2598 
refactor Hydrodynamics module.
Revision 2632 - Directory Listing - [select for diffs]
Modified Thu Mar 16 22:50:48 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2631 , to selected 2598 
LagevinDynamics is working?
Revision 2631 - Directory Listing - [select for diffs]
Modified Thu Mar 16 21:52:23 2006 UTC (19 years, 8 months ago) by gezelter
Diff to previous 2628 , to selected 2598 
fixed a const problem
Revision 2628 - Directory Listing - [select for diffs]
Modified Wed Mar 15 22:08:25 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2627 , to selected 2598 
unit conversion for diffusion tensor is wrong
Revision 2627 - Directory Listing - [select for diffs]
Modified Wed Mar 15 21:28:49 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2626 , to selected 2598 
change the epsilon of numeric_limit
Revision 2626 - Directory Listing - [select for diffs]
Modified Wed Mar 15 20:58:47 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2623 , to selected 2598 
correcting the unit in HydrodynamicsModel
Revision 2623 - Directory Listing - [select for diffs]
Modified Wed Mar 15 15:51:44 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2622 , to selected 2598 
Adding RoughShell and BeadModel
Revision 2622 - Directory Listing - [select for diffs]
Modified Wed Mar 15 15:50:11 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2611 , to selected 2598 
adding hydrodynamics module into build system
Revision 2611 - Directory Listing - [select for diffs]
Modified Mon Mar 13 22:42:40 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2598 
LangevinDynamics in progress
Revision 2598 - Directory Listing - [selected]
Modified Fri Feb 24 21:17:05 2006 UTC (19 years, 9 months ago) by tim
Diff to previous 2597 
fix bugs in HydrodynamicsModel; (1) sign issue of Xirr calculation (2) out product of Rij
Revision 2597 - Directory Listing - [select for diffs]
Modified Thu Feb 23 23:16:43 2006 UTC (19 years, 9 months ago) by tim
Diff to previous 2596 , to selected 2598 
Bead Model is working
Revision 2596 - Directory Listing - [select for diffs]
Added Wed Feb 22 20:35:16 2006 UTC (19 years, 9 months ago) by tim
Diff to selected 2598 
Adding Hydrodynamics Module

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